1-aminoheptan-2-ol;phosphoric acid

C7H20NO5P — CID 174932535

IUPAC1-aminoheptan-2-ol;phosphoric acid
SMILESCCCCCC(O)CN.O=P(O)(O)O
InChIInChI=1S/C7H17NO.H3O4P/c1-2-3-4-5-7(9)6-8;1-5(2,3)4/h7,9H,2-6,8H2,1H3;(H3,1,2,3,4)
InChIKeyWTKZUJJUMZGIBR-UHFFFAOYSA-N
MW229.21 g/mol
LogP-0.04
Rot. Bonds5

About 1-aminoheptan-2-ol;phosphoric acid

1-aminoheptan-2-ol;phosphoric acid (PubChem CID 174932535) has the molecular formula C7H20NO5P and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-aminoheptan-2-ol;phosphoric acid.

Molecular Properties

Compound Name1-aminoheptan-2-ol;phosphoric acid
PubChem CID174932535
Molecular FormulaC7H20NO5P
Molecular Weight229.21 g/mol
Exact Mass229.11
IUPAC Name1-aminoheptan-2-ol;phosphoric acid
SMILESCCCCCC(O)CN.O=P(O)(O)O
InChIInChI=1S/C7H17NO.H3O4P/c1-2-3-4-5-7(9)6-8;1-5(2,3)4/h7,9H,2-6,8H2,1H3;(H3,1,2,3,4)
InChIKeyWTKZUJJUMZGIBR-UHFFFAOYSA-N
XLogP-0.04
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-aminohenicosan-2-ol
CID 88605177
(2R)-1-aminooctan-2-ol
CID 13476237
1-aminotetradecan-2-ol;sulfuric acid
CID 158919972
1,24-diaminotetracosane-2,23-diol
CID 175286632
1-aminooctan-3-ol
CID 21436343
(3R)-1-aminooctan-3-ol
CID 22797502
sodium;hexane-1,1-diamine;hydride;phosphoric acid
CID 175253619
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of 1-aminoheptan-2-ol;phosphoric acid?
The IUPAC name of 1-aminoheptan-2-ol;phosphoric acid (CID 174932535) is 1-aminoheptan-2-ol;phosphoric acid.
What is the SMILES notation for 1-aminoheptan-2-ol;phosphoric acid?
The canonical SMILES for 1-aminoheptan-2-ol;phosphoric acid is CCCCCC(O)CN.O=P(O)(O)O.
What is the InChIKey of 1-aminoheptan-2-ol;phosphoric acid?
The InChIKey is WTKZUJJUMZGIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.H3O4P/c1-2-3-4-5-7(9)6-8;1-5(2,3)4/h7,9H,2-6,8H2,1H3;(H3,1,2,3,4).
What are the key properties of 1-aminoheptan-2-ol;phosphoric acid?
1-aminoheptan-2-ol;phosphoric acid has a molecular weight of 229.21 g/mol, XLogP of -0.04, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoheptan-2-ol;phosphoric acid is sourced from PubChem (CID 174932535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).